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    Technical details about DSSTox_CID_3302, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_3302

    APIs // Active Pharmaceutical Ingredients

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    2D Structure
    Also known as: Depo-medrol, 53-36-1, M-predrol, Depo-medrate, Medrol acetate, Depo-medrone
    Molecular Formula
    C24H32O6
    Molecular Weight
    416.5  g/mol
    InChI Key
    PLBHSZGDDKCEHR-LFYFAGGJSA-N
    FDA UNII
    43502P7F0P
    Methylprednisolone derivative that is used as an anti-inflammatory agent for the treatment of ALLERGY and ALLERGIC RHINITIS; ASTHMA; and BURSITIS; and for the treatment of ADRENAL INSUFFICIENCY.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
    2.1.2 InChI
    InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1
    2.1.3 InChI Key
    PLBHSZGDDKCEHR-LFYFAGGJSA-N
    2.1.4 Canonical SMILES
    CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O
    2.1.5 Isomeric SMILES
    C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    43502P7F0P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acetyl Methylprednisolone

    2. Acetyl-methylprednisolone

    3. Depo Medrol

    4. Depo Medrone

    5. Depo-medrol

    6. Depo-medrone

    7. Methylprednisolone 21 Acetate

    8. Methylprednisolone Acetate, (11beta,16alpha)-isomer

    9. Methylprednisolone Acetate, (11beta,16beta)-isomer

    10. Methylprednisolone-21-acetate

    2.3.2 Depositor-Supplied Synonyms

    1. Depo-medrol

    2. 53-36-1

    3. M-predrol

    4. Depo-medrate

    5. Medrol Acetate

    6. Depo-medrone

    7. Methylprednisolone 21-acetate

    8. Depometicort

    9. Depomedrone

    10. Mepred

    11. Medrol Enpak

    12. Depo-medrin

    13. 6alpha-methylprednisolone Acetate

    14. D-med

    15. Urbason Crystal Suspension

    16. Depo-methylprednisolone Acetate

    17. 6alpha-methylprednisolone 21-acetate

    18. Depmedalone 40

    19. Depmedalone 80

    20. Methyl Prednisolone Acetate

    21. U 8210

    22. 11beta,17,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate

    23. Nsc-48985

    24. 6alpha-methyl Prednisolone 21-acetate

    25. Chebi:6889

    26. Nsc 48985

    27. 43502p7f0p

    28. Depo-methylprednisolone

    29. Unidrol

    30. Lemod Depo

    31. (6alpha,11beta)-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl Acetate

    32. Solsolona [inj.]

    33. Ubrason [inj.]

    34. [2-[(6s,8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] Acetate

    35. Depot-medrol

    36. Solsolona

    37. Ubrason

    38. Mls002667229

    39. Einecs 200-171-3

    40. 6-methylprednisolone Acetate

    41. 6.alpha.-methylprednisolone Acetate

    42. Unii-43502p7f0p

    43. 6.alpha.-methylprednisolone 21-acetate

    44. Ncgc00159503-02

    45. Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-6-methyl-, (6.alpha.,11.beta.)-

    46. Depo-medrol (tn)

    47. Methylprednisolone Acetate [usp:jan]

    48. Component Of Neo-medrol

    49. Dsstox_cid_3302

    50. Methylprednisolon-21-acetat

    51. Dsstox_rid_76966

    52. Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-6-methyl-, (6-alpha,11-beta)-

    53. Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-6-methyl-, (6alpha,11beta)-

    54. Dsstox_gsid_23302

    55. Schembl13231

    56. Mls001304003

    57. Methyl Prednisolone 21-acetate

    58. Chembl1364144

    59. Dtxsid7023302

    60. Methylprednisolone Ep Impurity J

    61. 11.beta.,17,21-trihydroxy-6.alpha.-methylpregna-1,4-diene-3,20-dione 21-acetate

    62. Bdbm233194

    63. Hms2233n14

    64. Hms3259l07

    65. Nsc48985

    66. 6?-methyl Prednisolone 21-acetate

    67. Tox21_111722

    68. S5973

    69. Methylprednisolone Acetate (jan/usp)

    70. Akos015969745

    71. Zinc118912449

    72. Nc00628

    73. 6 Alpha -methylprednisolone 21-acetate

    74. Cas-53-36-1

    75. Methylprednisolone Acetate [jan]

    76. Pregna-1,4-diene-3,20-dione, 11beta,17,21-trihydroxy-6alpha-methyl-, 21-acetate

    77. Hy-13681

    78. Methylprednisolone Acetate [mart.]

    79. Methylprednisolone Acetate [vandf]

    80. Smr000718757

    81. Methylprednisolone Acetate [usp-rs]

    82. Methylprednisolone Acetate [who-dd]

    83. Cs-0007549

    84. M2635

    85. C08179

    86. D00979

    87. D87728

    88. Methylprednisolone Acetate [green Book]

    89. Methylprednisolone Acetate [orange Book]

    90. Ab00375925-05

    91. Methylprednisolone Acetate [ep Monograph]

    92. Methylprednisolone Acetate [usp Impurity]

    93. Methylprednisolone Acetate For Peak Identification

    94. Methylprednisolone Acetate For System Suitability

    95. 200m356

    96. Methylprednisolone Acetate [usp Monograph]

    97. Methylprednisolone Impurity J [ep Impurity]

    98. Methylprednisolone Acetate 100 Microg/ml In Methanol

    99. Q27107351

    100. Neo-medrol Acetate Component Methylprednisolone Acetate

    101. Methylprednisolone Acetate Component Of Neo-medrol Acetate

    102. Methylprednisolone Hydrogen Succinate Impurity C [ep Impurity]

    103. Pregna-1,20-dione, 11.beta.,17,21-trihydroxy-6.alpha.-methyl-, 21-acetate

    104. Pregna-1,20-dione, 21-(acetyloxy)-11,17-dihydroxy-6-methyl-, (6.alpha.,11.beta.)-

    105. Methylprednisolone Acetate; 6?-methyl Prednisolone 21-acetate; Methylprednisolone Hydrogen Succinate Ep Impurity C; 11?,17-dihydroxy-6?-methyl-3,20-dioxopregna-1,4-dien21-yl Acetate; 21-acetoxy-11?,17-dihydroxy-6?-methylpregna-1,4-diene-3,20-dione

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 416.5 g/mol
    Molecular Formula C24H32O6
    XLogP32.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass416.21988874 g/mol
    Monoisotopic Mass416.21988874 g/mol
    Topological Polar Surface Area101 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity858
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 4  
    Drug NameDepo-medrol
    Drug LabelDEPO-MEDROL is an anti-inflammatory glucocorticoid for intramuscular, intra-articular, soft tissue, or intralesional injection. It is available in three strengths: 20 mg/mL; 40 mg/mL; 80 mg/mL.Each mL of these preparations contains:Methylprednisolone...
    Active IngredientMethylprednisolone acetate
    Dosage FormInjectable
    RouteInjection
    Strength20mg/ml; 80mg/ml; 40mg/ml
    Market StatusPrescription
    CompanyPharmacia And Upjohn

    2 of 4  
    Drug NameMethylprednisolone acetate
    Drug LabelDEPO-MEDROL is an anti-inflammatory glucocorticoid for intramuscular, intra-articular, soft tissue, or intralesional injection. It is available in three strengths: 20 mg/mL; 40 mg/mL; 80 mg/mL.Each mL of these preparations contains:Methylprednisolone...
    Active IngredientMethylprednisolone acetate
    Dosage FormInjectable
    RouteInjection
    Strength80mg/ml; 40mg/ml
    Market StatusPrescription
    CompanyTeva Pharms Usa; Sandoz

    3 of 4  
    Drug NameDepo-medrol
    Drug LabelDEPO-MEDROL is an anti-inflammatory glucocorticoid for intramuscular, intra-articular, soft tissue, or intralesional injection. It is available in three strengths: 20 mg/mL; 40 mg/mL; 80 mg/mL.Each mL of these preparations contains:Methylprednisolone...
    Active IngredientMethylprednisolone acetate
    Dosage FormInjectable
    RouteInjection
    Strength20mg/ml; 80mg/ml; 40mg/ml
    Market StatusPrescription
    CompanyPharmacia And Upjohn

    4 of 4  
    Drug NameMethylprednisolone acetate
    Drug LabelDEPO-MEDROL is an anti-inflammatory glucocorticoid for intramuscular, intra-articular, soft tissue, or intralesional injection. It is available in three strengths: 20 mg/mL; 40 mg/mL; 80 mg/mL.Each mL of these preparations contains:Methylprednisolone...
    Active IngredientMethylprednisolone acetate
    Dosage FormInjectable
    RouteInjection
    Strength80mg/ml; 40mg/ml
    Market StatusPrescription
    CompanyTeva Pharms Usa; Sandoz

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Anti-Inflammatory Agents

    Substances that reduce or suppress INFLAMMATION. (See all compounds classified as Anti-Inflammatory Agents.)

    5.2 FDA Pharmacological Classification
    5.2.1 Pharmacological Classes
    Corticosteroid [EPC]; Corticosteroid Hormone Receptor Agonists [MoA]
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